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Volumn 58, Issue 3, 1998, Pages 2203-2213

Ladder climbing and multiphoton dissociation of polyatomic molecules excited with short pulses: Basic theory and applications to HCO

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EID: 0011579590     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.58.2203     Document Type: Article
Times cited : (7)

References (39)
  • 1
    • 0003558866 scopus 로고
    • Verlag Chemie, Weinheim
    • Femtosecond Chemistry, edited by J. Manz and L. Wöste (Verlag Chemie, Weinheim, 1995).
    • (1995) Femtosecond Chemistry
  • 15
    • 0031138907 scopus 로고    scopus 로고
    • Chem. Phys. 217, 119ff (1997), thematic issue on dynamics of driven quantum systems
    • Chem. Phys. 217, 119ff (1997), thematic issue on dynamics of driven quantum systems.
  • 22
    • 85037226048 scopus 로고    scopus 로고
    • The numerical treatment is significantly simpler if the molecule cannot dissociate. Then, one can expand the wave function in a set of suitable square-integrable basis functions and derive a set of first-order differential equations. If the basis functions are simple and if the potential energy surface has a simple coordinate dependence, several modes of a polyatomic molecule can be treated (see, for example, Ref
    • The numerical treatment is significantly simpler if the molecule cannot dissociate. Then, one can expand the wave function in a set of suitable square-integrable basis functions and derive a set of first-order differential equations. If the basis functions are simple and if the potential energy surface has a simple coordinate dependence, several modes of a polyatomic molecule can be treated (see, for example, Ref. 5 and references therein).
  • 25
    • 85037189619 scopus 로고    scopus 로고
    • Since the bound-state wave functions exponentially decay into the classically forbidden region, they are never really zero except at the boundary of the grid. As a consequence, the unit matrix in (Formula presented) has a tiny distortion and also the nondiagonal elements are not exactly zero. However, these deviations from the ideal are negligibly small
    • Since the bound-state wave functions exponentially decay into the classically forbidden region, they are never really zero except at the boundary of the grid. As a consequence, the unit matrix in (Formula presented) has a tiny distortion and also the nondiagonal elements are not exactly zero. However, these deviations from the ideal are negligibly small.
  • 34
    • 85037192915 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.